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Title: Materials Data on Ga2HgTe4 by Materials Project

Abstract

HgGa2Te4 is Chalcostibite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.

Publication Date:
Other Number(s):
mp-16337
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ga2HgTe4; Ga-Hg-Te
OSTI Identifier:
1191824
DOI:
https://doi.org/10.17188/1191824

Citation Formats

The Materials Project. Materials Data on Ga2HgTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191824.
The Materials Project. Materials Data on Ga2HgTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1191824
The Materials Project. 2020. "Materials Data on Ga2HgTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1191824. https://www.osti.gov/servlets/purl/1191824. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191824,
title = {Materials Data on Ga2HgTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {HgGa2Te4 is Chalcostibite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.},
doi = {10.17188/1191824},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}